SCHEMBL3328871

SCHEMBL3328871

Cc1cc(-c2cc(-c3cccc(OCC(=O)N4CCC(N5CCOCC5)CC4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ACHE P22303 5/20 0.52
PIM1 P11309 2/20 0.48
CDC7 O00311 2/20 0.48
CSNK2A2 P19784 1/20 0.48
CLK1 P49759 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FKBP1A P62942 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PFKFB3 Q16875 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3329029 0.93 CYP2D6 (0.56) KDM4EACHEPIM1CDC7CSNK2A2
SCHEMBL3329344 0.93 ACHE (0.55) KDM4EACHEPIM1CDC7CSNK2A2
SCHEMBL3330398 0.89 CDC7 (0.54) KDM4EACHEPIM1CDC7CSNK2A2
SCHEMBL3327755 0.89 PIM1 (0.53) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL3329463 0.88 PIM1 (0.52) KDM4EACHEPIM1CDC7CSNK2A2
SCHEMBL3332207 0.87 PIM1 (0.54) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL3328597 0.86 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330519 0.86 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3327419 0.86 PIM1 (0.50) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL3329739 0.85 PIM1 (0.53) KDM4EPIM1CDC7CSNK2A2CLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 KDM4E 672/4885ACHE 4646/4885PIM1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.